CAS RN: 1416440-27-1
7-fluoro-3-iodoquinoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1416440-27-1
- Purity/Analytical Methods: >99.0%
1416440-27-1 / 7-fluoro-3-iodoquinoline
Basic Information
CAS
1416440-27-1
Multi CAS
No
Molecular Formula
C9H5FIN
Molecular Weight
273.050000
Exact Mass
272.945070
SMILES
C1=CC(=CC2=NC=C(C=C21)I)F
InChI
InChI=1S/C9H5FIN/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-5H
InChIKey
RYCMGYDTAFDSEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.42
TPSA
12.89
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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